SCHEMBL3659810

SCHEMBL3659810

COC(=O)c1cc(-c2ccccc2OC)cc([N+](=O)[O-])c1.COC(=O)c1cc(N)cc(-c2ccccc2OC)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
CASP3 P42574 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2203695 0.93 LMNA (0.55) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3656808 0.89 MAPT (0.52) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL2204744 0.88 ATAD2 (0.47) SMN1; SMN2POLBL3MBTL1
SCHEMBL6606900 0.85 NPC1 (0.52) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL2204261 0.82 KMT2A (0.53) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3652268 0.80 KMT2A (0.49) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3664745 0.80 POLB (0.50) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL2491580 0.79 NPC1 (0.54) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL3508583 0.79 POLB (0.55) MAPTKMT2AMEN1RAB9APOLB
SCHEMBL1997115 0.79 NPC1 (0.70) MAPTLMNAKMT2AMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed